(3-chloro-1-benzothiophen-2-yl)-(4-methoxyphenyl)methanone

C16H11ClO2S — CID 71115991

IUPAC(3-chloro-1-benzothiophen-2-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2sc3ccccc3c2Cl)cc1
InChIInChI=1S/C16H11ClO2S/c1-19-11-8-6-10(7-9-11)15(18)16-14(17)12-4-2-3-5-13(12)20-16/h2-9H,1H3
InChIKeyQLHLCGOJBPWRLP-UHFFFAOYSA-N
MW302.78 g/mol
LogP4.79
Rot. Bonds3

About (3-chloro-1-benzothiophen-2-yl)-(4-methoxyphenyl)methanone

(3-chloro-1-benzothiophen-2-yl)-(4-methoxyphenyl)methanone (PubChem CID 71115991) has the molecular formula C16H11ClO2S and a molecular weight of 302.78 g/mol. Its IUPAC name is (3-chloro-1-benzothiophen-2-yl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(3-chloro-1-benzothiophen-2-yl)-(4-methoxyphenyl)methanone
PubChem CID71115991
Molecular FormulaC16H11ClO2S
Molecular Weight302.78 g/mol
Exact Mass302.02
IUPAC Name(3-chloro-1-benzothiophen-2-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2sc3ccccc3c2Cl)cc1
InChIInChI=1S/C16H11ClO2S/c1-19-11-8-6-10(7-9-11)15(18)16-14(17)12-4-2-3-5-13(12)20-16/h2-9H,1H3
InChIKeyQLHLCGOJBPWRLP-UHFFFAOYSA-N
XLogP4.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.78
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-Di-tert-butylphenyl 3-chloro-1-benzo[b]thiophene-2-carboxylate
CID 4981199
2-(4-Methoxyphenyl)-3-(4-methoxybenzoyl)benzothiophene
CID 10667130
2-Ethyl-3-(4-methoxybenzoyl)benzo[b]-thiophene
CID 129781980
(E)-3-(1-benzothiophen-3-yl)-1-(4-ethoxyphenyl)prop-2-en-1-one
CID 118732209
3-Chloro-6-methoxy-1-benzothiophene-2-carboxylic acid
CID 693153
methyl 4-[(E)-2-[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]ethenyl]benzoate
CID 25058307
[2-(4-Methoxyphenyl)-1-benzothiophen-3-yl]-naphthalen-1-ylmethanone
CID 134131733
(4-Methoxyphenyl)-(2-propyl-1-benzothiophen-3-yl)methanone
CID 134132855
(4-Methoxyphenyl)-(2-pentyl-1-benzothiophen-3-yl)methanone
CID 134137271
(4-Methoxyphenyl)-[2-(2-methylpropyl)-1-benzothiophen-3-yl]methanone
CID 134155966
6-Methoxy-2-(4-methoxyphenyl)-1-benzothiophene-3-carbaldehyde
CID 10063271
(E)-3-(5-Benzo[b]thiophen-2-yl-2-methoxy-phenyl)-1-(4-methoxy-phenyl)-propenone
CID 22025583

Frequently Asked Questions

What is the IUPAC name of (3-chloro-1-benzothiophen-2-yl)-(4-methoxyphenyl)methanone?
The IUPAC name of (3-chloro-1-benzothiophen-2-yl)-(4-methoxyphenyl)methanone (CID 71115991) is (3-chloro-1-benzothiophen-2-yl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (3-chloro-1-benzothiophen-2-yl)-(4-methoxyphenyl)methanone?
The canonical SMILES for (3-chloro-1-benzothiophen-2-yl)-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2sc3ccccc3c2Cl)cc1.
What is the InChIKey of (3-chloro-1-benzothiophen-2-yl)-(4-methoxyphenyl)methanone?
The InChIKey is QLHLCGOJBPWRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClO2S/c1-19-11-8-6-10(7-9-11)15(18)16-14(17)12-4-2-3-5-13(12)20-16/h2-9H,1H3.
What are the key properties of (3-chloro-1-benzothiophen-2-yl)-(4-methoxyphenyl)methanone?
(3-chloro-1-benzothiophen-2-yl)-(4-methoxyphenyl)methanone has a molecular weight of 302.78 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-1-benzothiophen-2-yl)-(4-methoxyphenyl)methanone is sourced from PubChem (CID 71115991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).